Dibutyl sulfite

Base Information

• Chemical Name: Dibutyl sulfite
• CAS No.: 626-85-7
• Molecular Formula: C8H18 O3 S
• Molecular Weight: 194.295
• European Community (EC) Number: 210-965-1
• NSC Number: 2587
• UNII: U7NW3U1V9M
• DSSTox Substance ID: DTXSID3060825
• Nikkaji Number: J43.308J
• Wikidata: Q81989201
• Mol file: 626-85-7.mol

Synonyms:Dibutyl sulfite;Dibutyl sulphite;626-85-7;Sulfurous acid, dibutyl ester;Butyl sulfite (Bu2SO3);butyl sulfite;sulfurous acid dibutyl ester;U7NW3U1V9M;NSC 2587;NSC-2587;EINECS 210-965-1;Dibutylsulfit;Di-n-butyl sulphite;UNII-U7NW3U1V9M;Sulphurous acid dibutyl ester;SCHEMBL775328;DTXSID3060825;BUTYL SULFITE, (BUO)2SO;NSC2587;FT-0656171;A833926

Chemical Property of Dibutyl sulfite

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Refractive Index: 1.4289
• Boiling Point: 230°C at 760 mmHg
• Flash Point: 99.3°C
• PSA: 54.74000
• Density: 1.062g/cm³
• LogP: 3.06420
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 194.09766561
• Heavy Atom Count: 12
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOS(=O)OCCCC

Technology Process of Dibutyl sulfite

There total 20 articles about Dibutyl sulfite which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

N-(chlorosulfinyl)diphenylketimine (56070-03-2) + butan-1-ol (71-36-3) → sulfurous acid dibutyl ester (626-85-7) + diphenylmethanimine hydrochloride (5319-67-5)

Guidance literature:

In dichloromethane; for 2h; Ambient temperature;

Reference yield: 80.0%

butan-1-ol (71-36-3) → sulfurous acid dibutyl ester (626-85-7)

Guidance literature:

With thionyl chloride; sodium sulfite; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1080/10426500490262577

Reference yield:

n-Butyl nitrite (544-16-1) → sulfurous acid dibutyl ester (626-85-7)

Guidance literature:

With thionyl chloride; at 25 ℃;

upstream raw materials:

pyridine

butan-1-ol

n-Butyl nitrite

chlorosulfurous acid butyl ester

Downstream raw materials:

butyl sulfoxide

sec-Butylbenzene

butan-1-ol

chlorosulfurous acid butyl ester